BTS43R -OEChem-04022107022D 49 53 0 0 0 0 0 0 0999 V2000 8.0321 -0.2205 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 2.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.6316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.4229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7427 -3.3944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 3.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 3.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 -0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3534 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 -1.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 -2.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 1.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1768 3.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 3.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 1.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 1.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 3.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 3.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 2.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6638 2.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1795 -1.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5701 0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7473 -1.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1534 1.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 -0.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 4 22 2 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 22 1 0 0 0 0 7 30 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$