BU8XI7 -OEChem-04022106023D 40 42 0 0 0 0 0 0 0999 V2000 -6.6394 -1.9105 0.0448 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 2.4029 -0.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0003 3.8122 1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0539 3.9373 -1.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -0.8492 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 -2.1775 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 -1.1090 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5848 0.8708 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.4835 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 -1.4524 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9249 0.2270 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5796 1.8464 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 1.2166 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5259 -3.1092 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -3.0110 1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 0.1233 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 1.4727 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -0.3703 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 3.2733 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2653 0.0000 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -1.2170 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -0.4764 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -1.6934 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0218 -1.3232 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5796 -1.7074 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 -2.5001 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 0.5154 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 2.2526 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -3.6879 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -3.8193 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5925 -2.5336 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 -3.5857 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 -2.3647 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3541 -3.7200 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 0.6512 1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 -1.5136 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 3.3015 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2385 -0.1813 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -2.3516 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 4.7693 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 37 1 0 0 0 0 3 19 1 0 0 0 0 3 40 1 0 0 0 0 4 19 2 0 0 0 0 5 9 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 25 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$