BBT6Y9 -OEChem-04012118132D 47 49 0 1 0 0 0 0 0999 V2000 7.7809 0.2588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7298 -4.0044 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.1159 -1.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -3.0534 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0681 -2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 -0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 1.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -1.0502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 2.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -0.0502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3687 -0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 -1.3592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8216 -0.0460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8216 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0899 -2.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 0.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 2.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 2.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 2.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 4.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 0.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 -1.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 0.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 0.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 0.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 -1.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 -1.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 1.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -0.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -0.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 1.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 3.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 2.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4743 4.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 3.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 14 9 1 1 0 0 0 9 19 1 0 0 0 0 9 39 1 0 0 0 0 10 21 2 0 0 0 0 11 14 1 0 0 0 0 11 30 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 6 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$