B4DKF9 -OEChem-04012116502D 46 50 0 0 0 0 0 0 0999 V2000 9.2788 0.2098 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 -0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0596 1.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6463 1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 -0.0094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8655 0.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 1.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 0.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6506 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0053 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 2.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -3.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -1.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -3.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -2.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 1.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 -0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5284 1.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -2.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8499 2.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9477 -0.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6740 2.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8245 2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6074 1.8912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 24 1 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 15 1 0 0 0 0 6 37 1 0 0 0 0 7 28 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$