BU4IE1 -OEChem-04012118132D 38 36 0 1 0 0 0 0 0999 V2000 9.7942 1.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 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 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 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 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$