BTWJ54 -OEChem-04012115112D 56 60 0 0 0 0 0 0 0999 V2000 2.0000 -1.0487 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.6214 2.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4646 0.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -2.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1313 0.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.5246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.0246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9642 -0.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6320 -0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1595 0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2749 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6105 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2534 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9212 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4152 1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 1.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8608 -2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0246 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4460 -2.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5279 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -2.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -2.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1599 2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 17 1 0 0 0 0 2 56 1 0 0 0 0 3 17 2 0 0 0 0 4 23 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 37 1 0 0 0 0 6 20 1 0 0 0 0 6 23 1 0 0 0 0 6 45 1 0 0 0 0 7 21 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 18 2 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 18 23 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 19 32 1 0 0 0 0 20 25 1 0 0 0 0 20 30 2 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 22 31 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 34 1 0 0 0 0 30 50 1 0 0 0 0 31 34 2 0 0 0 0 31 51 1 0 0 0 0 32 35 2 0 0 0 0 32 52 1 0 0 0 0 33 36 2 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 M END $$$$