BOA52J -OEChem-04022118053D 33 34 0 0 0 0 0 0 0999 V2000 -2.0496 0.5872 2.7085 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2172 1.0166 0.3443 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6084 -2.5596 -0.2166 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.6544 -1.4357 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7973 -1.7945 1.1304 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.8540 -1.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 -3.4395 0.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -1.4567 -0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0649 -1.9635 0.2238 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4817 2.7840 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 0.3498 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 2.3393 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.7705 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 -1.1664 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 0.3677 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 1.7381 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 2.5253 -1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1337 -0.7395 1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -3.5602 -1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6331 1.3230 1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 2.1100 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 1.5089 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 2.9065 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 3.7746 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 1.1482 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -2.3061 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 1.5942 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5778 2.9940 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 -0.9792 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -4.0901 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7802 -2.9321 -2.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 -4.2845 -1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 2.2624 -1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 14 2 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 M END $$$$