B4BUO2 -OEChem-04012113042D 48 51 0 1 0 0 0 0 0999 V2000 3.4037 -1.9682 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.6035 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7683 -2.3394 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9216 2.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -2.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6647 1.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7987 0.0808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9327 0.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7987 2.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6109 0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9327 1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8148 -0.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6109 1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1945 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0227 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7547 -0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5381 -0.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6688 1.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 2.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3599 -0.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1483 -0.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3221 1.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0328 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4239 -0.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6554 0.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6554 1.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2847 2.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0447 2.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5194 -1.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3177 -1.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 1.2580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0816 -2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 0.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 16 2 0 0 0 0 5 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 6 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 1 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 1 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 11 29 1 6 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$