BQU2W7 -OEChem-04022101482D 50 54 0 1 0 0 0 0 0999 V2000 8.4322 1.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9264 -1.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8779 -3.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7051 0.0149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3391 -1.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5415 -2.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 2.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8598 1.9135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7051 0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2051 -0.8512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1215 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1215 0.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9482 -1.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8742 -0.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5434 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2125 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5726 3.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5508 2.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2877 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5974 0.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8705 -1.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 -1.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7727 -1.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8515 -2.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -0.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2970 2.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3822 0.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 3.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9656 3.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 20 2 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 37 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 28 1 0 0 0 0 8 26 2 0 0 0 0 9 30 1 0 0 0 0 9 32 2 0 0 0 0 11 10 1 6 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 22 2 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 21 25 3 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END $$$$