BA0KZ4 -OEChem-04012118132D 45 46 0 1 0 0 0 0 0999 V2000 6.3301 -0.8549 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6450 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9101 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6450 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -1.0676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6656 -3.3882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.3591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2543 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2208 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 -2.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9264 -2.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6991 -3.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -1.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0736 -1.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 -2.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3825 -1.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 -3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 -2.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5375 -4.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 4 15 2 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 23 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 14 11 1 1 0 0 0 11 21 1 0 0 0 0 11 34 1 0 0 0 0 12 28 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 6 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 29 2 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$