BA3T1X -OEChem-04022108573D 29 31 0 1 0 0 0 0 0999 V2000 5.1323 -0.8623 0.5412 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 1.4471 0.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6051 0.9268 1.6318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 1.3244 -0.5862 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 0.1679 -0.6556 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9492 0.2064 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 -0.8613 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 -1.2932 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 -2.2458 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 -2.2408 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 -0.3684 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 1.0033 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 0.8731 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 -0.9545 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 1.8167 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5992 -0.1519 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 1.2124 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 0.6995 -1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 -1.6613 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9943 -1.3481 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 -2.8195 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 -2.7471 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -3.2599 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -1.9335 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 2.2505 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 -2.0191 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 2.8790 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 1.8308 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 1.9133 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$