BW5DQ9 -OEChem-04012116522D 54 55 0 0 0 0 0 0 0999 V2000 8.0622 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.6065 -0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 2.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 1.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2063 3.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1848 3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8101 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1857 3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5925 3.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 2.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7915 3.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0570 3.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 5 20 1 0 0 0 0 6 22 1 0 0 0 0 6 29 1 0 0 0 0 7 22 2 0 0 0 0 8 27 1 0 0 0 0 8 32 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 30 2 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 2 2 1 9 -1 M END $$$$